D0R8CR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.072 3.381 0.000 1.00 0.00 C HETATM 2 C UNL 1 1.072 2.556 0.000 1.00 0.00 C HETATM 3 N UNL 1 1.786 2.143 0.000 1.00 0.00 N HETATM 4 C UNL 1 2.501 2.556 0.000 1.00 0.00 C HETATM 5 C UNL 1 2.501 3.381 0.000 1.00 0.00 C HETATM 6 N UNL 1 1.786 3.793 0.000 1.00 0.00 N HETATM 7 C UNL 1 0.357 3.793 0.000 1.00 0.00 C HETATM 8 C UNL 1 -0.357 3.381 0.000 1.00 0.00 C HETATM 9 C UNL 1 -0.357 2.556 0.000 1.00 0.00 C HETATM 10 N UNL 1 0.357 2.143 0.000 1.00 0.00 N HETATM 11 N UNL 1 -1.072 2.143 0.000 1.00 0.00 N HETATM 12 C UNL 1 -1.072 1.318 0.000 1.00 0.00 C HETATM 13 C UNL 1 -1.786 0.906 0.000 1.00 0.00 C HETATM 14 C UNL 1 -1.786 0.081 0.000 1.00 0.00 C HETATM 15 C UNL 1 -1.072 -0.332 0.000 1.00 0.00 C HETATM 16 C UNL 1 -0.357 0.081 0.000 1.00 0.00 C HETATM 17 C UNL 1 -0.357 0.906 0.000 1.00 0.00 C HETATM 18 C UNL 1 1.786 1.318 0.000 1.00 0.00 C HETATM 19 C UNL 1 1.072 0.906 0.000 1.00 0.00 C HETATM 20 C UNL 1 1.072 0.081 0.000 1.00 0.00 C HETATM 21 O UNL 1 1.786 -0.332 0.000 1.00 0.00 O HETATM 22 C UNL 1 2.501 0.081 0.000 1.00 0.00 C HETATM 23 C UNL 1 2.501 0.906 0.000 1.00 0.00 C HETATM 24 C UNL 1 1.786 4.618 0.000 1.00 0.00 C HETATM 25 O UNL 1 3.215 3.793 0.000 1.00 0.00 O HETATM 26 C UNL 1 3.215 2.143 0.000 1.00 0.00 C HETATM 27 S UNL 1 -2.501 -0.332 0.000 1.00 0.00 S HETATM 28 O UNL 1 -2.913 0.383 0.000 1.00 0.00 O HETATM 29 N UNL 1 -2.088 -1.046 0.000 1.00 0.00 N HETATM 30 O UNL 1 -3.215 -0.744 0.000 1.00 0.00 O HETATM 31 C UNL 1 -2.501 -1.761 0.000 1.00 0.00 C HETATM 32 C UNL 1 -2.088 -2.475 0.000 1.00 0.00 C HETATM 33 N UNL 1 -1.263 -2.475 0.000 1.00 0.00 N HETATM 34 C UNL 1 -0.851 -1.761 0.000 1.00 0.00 C HETATM 35 C UNL 1 -1.263 -1.046 0.000 1.00 0.00 C HETATM 36 C UNL 1 -0.851 -3.189 0.000 1.00 0.00 C HETATM 37 C UNL 1 -1.264 -3.904 0.000 1.00 0.00 C HETATM 38 F UNL 1 -0.549 -4.316 0.000 1.00 0.00 F HETATM 39 F UNL 1 -1.676 -4.618 0.000 1.00 0.00 F HETATM 40 F UNL 1 -1.978 -3.491 0.000 1.00 0.00 F CONECT 1 2 6 7 CONECT 2 1 3 10 CONECT 3 2 4 18 CONECT 4 3 5 26 CONECT 5 4 6 25 CONECT 6 5 1 24 CONECT 7 1 8 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 2 CONECT 11 9 12 CONECT 12 11 13 17 CONECT 13 12 14 CONECT 14 13 15 27 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 12 CONECT 18 3 19 23 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 18 CONECT 24 6 CONECT 25 5 CONECT 26 4 CONECT 27 14 28 29 30 CONECT 28 27 CONECT 29 27 31 35 CONECT 30 27 CONECT 31 29 32 CONECT 32 31 33 CONECT 33 32 34 36 CONECT 34 33 35 CONECT 35 34 29 CONECT 36 33 37 CONECT 37 36 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 MASTER 0 0 0 0 0 0 0 0 40 0 40 0 END M END $$$$